Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6704368 | 0.90 | ALDH1A1 (0.35) | ALDH1A1KDM4ETSHRL3MBTL1 | |
| SCHEMBL6818770 | 0.90 | ALDH1A1 (0.33) | ALDH1A1KDM4EMEN1KMT2ANCOA1 | |
| SCHEMBL6702415 | 0.68 | CLPP (0.33) | ALDH1A1 | |
| SCHEMBL6700621 | 0.66 | ALDH1A1 (0.37) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6704242 | 0.64 | PTGER4 (0.36) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6822414 | 0.64 | PTGDR2 (0.36) | TSHR | |
| SCHEMBL6702598 | 0.64 | SIGMAR1 (0.36) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6700558 | 0.64 | ALDH1A1 (0.36) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6822445 | 0.62 | ALDH1A1 (0.37) | ALDH1A1KDM4EMEN1KMT2ANCOA1 | |
| SCHEMBL6696771 | 0.62 | PTGER4 (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |